(2S)-2-methyl-3-phenylpent-4-enoic acid

C12H14O2 — CID 70506498

IUPAC(2S)-2-methyl-3-phenylpent-4-enoic acid
SMILESC=CC(c1ccccc1)[C@H](C)C(=O)O
InChIInChI=1S/C12H14O2/c1-3-11(9(2)12(13)14)10-7-5-4-6-8-10/h3-9,11H,1H2,2H3,(H,13,14)/t9-,11?/m0/s1
InChIKeyFTYMRMGNYRIGTH-FTNKSUMCSA-N
MW190.24 g/mol
LogP2.68
Rot. Bonds4

About (2S)-2-methyl-3-phenylpent-4-enoic acid

(2S)-2-methyl-3-phenylpent-4-enoic acid (PubChem CID 70506498) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2S)-2-methyl-3-phenylpent-4-enoic acid.

Molecular Properties

Compound Name(2S)-2-methyl-3-phenylpent-4-enoic acid
PubChem CID70506498
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(2S)-2-methyl-3-phenylpent-4-enoic acid
SMILESC=CC(c1ccccc1)[C@H](C)C(=O)O
InChIInChI=1S/C12H14O2/c1-3-11(9(2)12(13)14)10-7-5-4-6-8-10/h3-9,11H,1H2,2H3,(H,13,14)/t9-,11?/m0/s1
InChIKeyFTYMRMGNYRIGTH-FTNKSUMCSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N,2-trimethyl-3-phenylpent-4-enamide
CID 132648038
(2R,3S)-N,N-diethyl-2-methyl-3-phenylpent-4-enamide
CID 134922582
(2R,3R)-3-(3-methoxyphenyl)-2-methylpent-4-enoic acid
CID 118204888
(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enoic acid
CID 71623405
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
2-methyl-3-phenylbutanoic acid
CID 29759
(2S,3R)-2-hydroxy-1,3-diphenylpent-4-en-1-one
CID 134968055
tert-butyl 2-amino-3-phenylpent-4-enoate
CID 154715254
N-benzyl-N-ethyl-3-(3-hydroxyphenyl)-2-methylpent-4-enamide
CID 118204481
ethyl (2S,3R)-2-methoxy-3-phenylpent-4-enoate
CID 14120230
methyl 2-(pentafluoro-λ6-sulfanyl)-3-phenylpent-4-enoate
CID 132943093
(1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol
CID 134903492

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-phenylpent-4-enoic acid?
The IUPAC name of (2S)-2-methyl-3-phenylpent-4-enoic acid (CID 70506498) is (2S)-2-methyl-3-phenylpent-4-enoic acid.
What is the SMILES notation for (2S)-2-methyl-3-phenylpent-4-enoic acid?
The canonical SMILES for (2S)-2-methyl-3-phenylpent-4-enoic acid is C=CC(c1ccccc1)[C@H](C)C(=O)O.
What is the InChIKey of (2S)-2-methyl-3-phenylpent-4-enoic acid?
The InChIKey is FTYMRMGNYRIGTH-FTNKSUMCSA-N. The full InChI is InChI=1S/C12H14O2/c1-3-11(9(2)12(13)14)10-7-5-4-6-8-10/h3-9,11H,1H2,2H3,(H,13,14)/t9-,11?/m0/s1.
What are the key properties of (2S)-2-methyl-3-phenylpent-4-enoic acid?
(2S)-2-methyl-3-phenylpent-4-enoic acid has a molecular weight of 190.24 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-phenylpent-4-enoic acid is sourced from PubChem (CID 70506498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).